Clipper
container_hkl.h
00001 
00004 //C Copyright (C) 2000-2006 Kevin Cowtan and University of York
00005 //L
00006 //L  This library is free software and is distributed under the terms
00007 //L  and conditions of version 2.1 of the GNU Lesser General Public
00008 //L  Licence (LGPL) with the following additional clause:
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00010 //L     `You may also combine or link a "work that uses the Library" to
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00012 //L     that work under terms of your choice, provided that you give
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00014 //L     version of the Library is used in it, and that you include or
00015 //L     provide public access to the complete corresponding
00016 //L     machine-readable source code for the Library including whatever
00017 //L     changes were used in the work. (i.e. If you make changes to the
00018 //L     Library you must distribute those, but you do not need to
00019 //L     distribute source or object code to those portions of the work
00020 //L     not covered by this licence.)'
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00022 //L  Note that this clause grants an additional right and does not impose
00023 //L  any additional restriction, and so does not affect compatibility
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00025 //L  other terms, please contact the maintainer.
00026 //L
00027 //L  You can redistribute it and/or modify the library under the terms of
00028 //L  the GNU Lesser General Public License as published by the Free Software
00029 //L  Foundation; either version 2.1 of the License, or (at your option) any
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00032 //L  This library is distributed in the hope that it will be useful, but
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00043 
00044 
00045 #ifndef CLIPPER_CONTAINER_HKL
00046 #define CLIPPER_CONTAINER_HKL
00047 
00048 
00049 #include "container_types.h"
00050 #include "hkl_data.h"
00051 
00052 
00053 namespace clipper
00054 {
00055 
00056   extern const HKL_info NullHKL_info;  //<! null instance
00057 
00058 
00060 
00063   class CHKL_info : public Container, public HKL_info
00064   {
00065   public:
00067     CHKL_info( const String name = "",
00068                const Spacegroup& spacegroup = NullSpacegroup,
00069                const Cell& cell = NullCell,
00070                const Resolution& resolution = NullResolution,
00071                const bool& generate = false );
00073     CHKL_info( Container& parent, const String name = "",
00074                const bool& generate = false );
00076     void init( const Spacegroup& spacegroup, const Cell& cell,
00077                const Resolution& resolution, const bool& generate = false );
00078 
00080     void generate_hkl_list();    
00082     void update();
00083   private:
00084     bool generate_;  
00085   };
00086 
00087 
00089 
00091   template<class T> class CHKL_data : public Container, public HKL_data<T>
00092   {
00093   public:
00095     CHKL_data() {}
00097     CHKL_data( Container& parent, const String name = "" );
00099     void init( const HKL_info& hkl_info, const Cell& cell );
00101     void init( const Spacegroup& spacegroup, const Cell& cell, const HKL_sampling& hkl_sampling ) { clipper::Message::message( clipper::Message_fatal("CHKL_data deprecated") ); }
00103     void update();
00104 
00106     HKL_data<T>& operator =( const HKL_data<T>& other )
00107       { return ( dynamic_cast<HKL_data<T>&>(*this) = other ); }
00109     HKL_data<T>& operator =( const T& value )
00110       { return ( dynamic_cast<HKL_data<T>&>(*this) = value ); }
00111   };
00112 
00113 
00114   // template implementations
00115 
00116 
00124   template<class T> CHKL_data<T>::CHKL_data( Container& parent, const String name ) : Container( parent, name )
00125   {
00126     init( NullHKL_info, NullCell );
00127   }
00128 
00129 
00135   template<class T> void CHKL_data<T>::init( const HKL_info& hkl_info, const Cell& cell )
00136   {
00137     // use supplied values by default
00138     const HKL_info* hp = &hkl_info;
00139     const Cell* cp = &cell;
00140     // otherwise get them from the tree
00141     if ( hp->is_null() ) hp = parent_of_type_ptr<const HKL_info>();
00142     if ( cp->is_null() ) cp = parent_of_type_ptr<const Cell>();
00143     // if we have an hkl_info, try and init
00144     if ( hp != NULL ) {
00145       // if no cell then inherit
00146       if ( cp == NULL ) cp = &(hp->cell());
00147       // now initialise
00148       if ( !hp->is_null() && !cp->is_null() )
00149         HKL_data<T>::init( *hp, *cp );
00150     }
00151     Container::update();
00152   }
00153 
00154 
00160   template<class T> void CHKL_data<T>::update()
00161   {
00162     if ( HKL_data_base::is_null() )
00163       init( NullHKL_info, NullCell );
00164     else
00165       Container::update();
00166     HKL_data<T>::update();
00167   }
00168 
00169 
00170 } // namespace clipper
00171 
00172 #endif